[email protected]
CAS 19780-79-1 2-Hexyl-1-n-octanol molecular structure lightbox
CAS RN: 19780-79-1

2-Hexyl-1-n-octanol

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 1ml In stock Inquiry
Batchno.20251122 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251002 1ml / 5ml Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-093242
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1ml
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19780-79-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1ml ≥95% 0 Out of Stock Beijing Inquiry

19780-79-1 / 2-hexyloctan-1-ol

Standard CAS: 19780-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19780-79-1
Multi CAS
No
Molecular Formula
C14H30O
Molecular Weight
214.390000
Exact Mass
214.229666
SMILES
CCCCCCC(CCCCCC)CO
InChI
InChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3
InChIKey
QNMCWJOEQBZQHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.09
TPSA
20.23

LogP / Solubility

WLOGP
4.54
MLOGP
3.99
XLogP3
5.9
Consensus LogP
4.81
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us